SCHEMBL6691075

SCHEMBL6691075

O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.82
HSD17B10 Q99714 4/20 0.76
MAPK1 P28482 4/20 0.76
USP2 O75604 3/20 0.76
NPSR1 Q6W5P4 2/20 0.76
LMNA P02545 2/20 0.76
RAB9A P51151 2/20 0.76
NPC1 O15118 1/20 0.76
TP53 P04637 1/20 0.76
TSHR P16473 1/20 0.76
LRRK2 Q5S007 1/20 0.72
KMT2A Q03164 9/20 0.69
MEN1 O00255 8/20 0.69
ALDH1A1 P00352 7/20 0.69
KDM4E B2RXH2 6/20 0.69
HPGD P15428 2/20 0.69
GAA P10253 2/20 0.69
RXFP1 Q9HBX9 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6687323 0.85 MAPT (0.81) MAPTHSD17B10MAPK1USP2NPSR1
SCHEMBL21682206 0.84 ALDH1A1 (0.70) MAPTHSD17B10MAPK1USP2NPSR1
SCHEMBL21753695 0.84 LRRK2 (1.00) MAPTHSD17B10RAB9ANPC1TSHR
SCHEMBL26606572 0.81 MAPT (0.72) MAPTHSD17B10MAPK1USP2NPSR1
SCHEMBL6684638 0.79 MAPT (0.84) MAPTHSD17B10MAPK1USP2LMNA
SCHEMBL26606566 0.79 MAPT (0.68) MAPTHSD17B10MAPK1USP2NPSR1
SCHEMBL1094219 0.78 MAPT (0.77) MAPTMAPK1USP2LMNARAB9A
SCHEMBL17073220 0.78 MAPT (0.98) MAPTHSD17B10MAPK1USP2NPSR1
SCHEMBL665069 0.77 MAPT (0.81) MAPTLMNARAB9ANPC1TP53
SCHEMBL21772281 0.77 RXFP1 (0.75) MAPTHSD17B10MAPK1USP2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004078115-A2 BENZOTHIAZOLE COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF ROTAVIRUS INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA, INCORPORATED (US) 2004-09-16 WO claimed